Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCc2ccc(Cl)cc2)c2ccccc2c1=O |
MW: | 397.16 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 63.13 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8992367628 |
MolPort: | MolPort-007-773-038 |
Activity Data | |
IC50 (µM) - RapidFire: | 95.9468919193535 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-17
1.000
MAT-POS-2492181e-4
1.000
LON-WEI-4d77710c-52
0.667
LON-WEI-5e7d1b3e-52
0.667
MAT-POS-2492181e-1
0.667
LON-WEI-4d77710c-40
0.628
LON-WEI-5e7d1b3e-40
0.628
MAT-POS-2492181e-11
0.612
LON-WEI-5e7d1b3e-16
0.612
LON-WEI-4d77710c-16
0.612
MAT-POS-b5746674-109
0.612
MAT-POS-2492181e-12
0.610
LON-WEI-5e7d1b3e-51
0.609
LON-WEI-4d77710c-51
0.609
LON-WEI-5e7d1b3e-48
0.600
LON-WEI-4d77710c-48
0.600
LON-WEI-5e7d1b3e-20
0.589
LON-WEI-4d77710c-20
0.589
MAT-POS-2492181e-7
0.586
LON-WEI-5e7d1b3e-15
0.549
MAT-POS-b5746674-100
0.549
LON-WEI-4d77710c-15
0.549
MAT-POS-2492181e-10
0.548
LON-WEI-4d77710c-44
0.547
LON-WEI-5e7d1b3e-44
0.547
LON-WEI-4d77710c-60
0.543
LON-WEI-5e7d1b3e-60
0.543
MAT-POS-2492181e-6
0.543
LON-WEI-5e7d1b3e-9
0.541
LON-WEI-4d77710c-9
0.541
LON-WEI-5e7d1b3e-22
0.535
LON-WEI-4d77710c-22
0.535
MAT-POS-b5746674-102
0.532
LON-WEI-4d77710c-38
0.532
LON-WEI-5e7d1b3e-38
0.532
LON-WEI-4d77710c-13
0.528
LON-WEI-5e7d1b3e-13
0.528
LON-WEI-4d77710c-43
0.522
LON-WEI-5e7d1b3e-43
0.522
LON-WEI-4d77710c-28
0.516
LON-WEI-5e7d1b3e-28
0.516
LON-WEI-4d77710c-55
0.516
LON-WEI-5e7d1b3e-55
0.516
LON-WEI-4d77710c-27
0.512
LON-WEI-5e7d1b3e-27
0.512
LON-WEI-4d77710c-4
0.511
LON-WEI-5e7d1b3e-4
0.511
LON-WEI-4d77710c-21
0.506
LON-WEI-5e7d1b3e-21
0.506
LON-WEI-5e7d1b3e-35
0.500
MAT-POS-b5746674-108
0.500
LON-WEI-4d77710c-35
0.500
LON-WEI-4d77710c-56
0.500
LON-WEI-5e7d1b3e-56
0.500
MAT-POS-2492181e-9
0.485
LON-WEI-5e7d1b3e-30
0.479
MAT-POS-af71705c-2
0.479
LON-WEI-4d77710c-30
0.479
MAT-POS-b5746674-105
0.474
LON-WEI-5e7d1b3e-58
0.465
LON-WEI-4d77710c-58
0.465
MAT-POS-2492181e-8
0.464
MAT-POS-b5746674-110
0.457
MAT-POS-b5746674-104
0.452
LON-WEI-5e7d1b3e-54
0.448
MAT-POS-b5746674-107
0.448
LON-WEI-4d77710c-54
0.448
LON-WEI-4d77710c-29
0.446
LON-WEI-5e7d1b3e-29
0.446
LON-WEI-4d77710c-42
0.444
LON-WEI-5e7d1b3e-42
0.444
MAT-POS-2492181e-5
0.440
LON-WEI-4d77710c-31
0.440
LON-WEI-5e7d1b3e-31
0.440
MAT-POS-b5746674-103
0.433
LON-WEI-5e7d1b3e-34
0.418
LON-WEI-4d77710c-34
0.418
MAT-POS-b5746674-101
0.418
MAT-POS-b5746674-99
0.414
LON-WEI-4d77710c-53
0.413
LON-WEI-5e7d1b3e-53
0.413
MAT-POS-b5746674-106
0.390
MAT-POS-2492181e-2
0.385
MAT-POS-2492181e-3
0.370
MAT-POS-4211dce8-1
0.344
LON-WEI-5e7d1b3e-7
0.321
LON-WEI-4d77710c-7
0.321
MAT-POS-b5746674-98
0.321
LON-WEI-5e7d1b3e-49
0.320
LON-WEI-4d77710c-49
0.320
MAT-POS-3b92565d-7
0.313
MAT-POS-b5746674-35
0.312
LON-WEI-4d77710c-50
0.312
MAT-POS-b5746674-34
0.312
LON-WEI-5e7d1b3e-50
0.312
LON-WEI-5e7d1b3e-1
0.311
LON-WEI-4d77710c-1
0.311
LON-WEI-4d77710c-39
0.307
LON-WEI-5e7d1b3e-39
0.307
LON-WEI-5e7d1b3e-18
0.303